Basic information
- CAS
37094-62-5- Standard SMILES
CCCC[NH+](CCCC)CC(O)c1cc2ccc(Br)cc2c2ccsc12.[Cl-]- InChIKey
KPOIZQJGTGYJHE-UHFFFAOYSA-N- Molecular formula
- C22H29BrClNOS
- Average molar mass
- 470.9 g/mol
- Monoisotopic mass
- 469.08418
Names & identifiers
- Preferred name
- Naphtho(2,1-b)thiophene-4-methanol, 8-bromo-alpha-((dibutylamino)methyl)-, hydrochloride
- IUPAC
- [2-(8-bromobenzo[e][1]benzothiol-4-yl)-2-hydroxyethyl]-dibutylazanium chloride
Names & synonyms
Naphtho(2,1-b)thiophene-4-methanol, 8-bromo-alpha-((dibutylamino)methyl)-, hydrochloride37094-62-58-Bromo-alpha-((dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride
Database identifiers
- CAS
37094-62-5- PubChem CID
- 37628
Properties
Computed structural properties
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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